View Full Version : Crystal structure

July 22nd, 2007, 04:17 PM

Is there any software for creating crystal structure in 3D (e.g. to visualise the FCC, BCC, HCP structure)? In addition, I would like to apply simple strain on such structure and observe the changes?

I don't do crystals but I hope to apply these knowledge in the interaction of particles/droplets/bubles when they are closely packed.

Assistance appreciated


July 22nd, 2007, 05:31 PM
Pymol makes pretty pictures from crystal data. I've worked with Refmac and Coot for more serious crystal manipulation, and they seem to do just the job :)

July 23rd, 2007, 08:30 PM
drawXTL (http://home.att.net/~larry.finger/drawxtl/) ist the program you are probably looking for.
If you just want to look at hcp, ccp and bcc packaging types you might as well look here (http://ruby.chemie.uni-freiburg.de/Vorlesung/Strukturtypen/alle.html). There are a lot of other structures as well. This site is in german but AB2 or "Perowskit" are pretty self-explanatory.
To view a 3D model you will need a VRML viewer such as vrweb which can be found in the ubuntu repositories, but I don't know the section right now (maybe universe). The program is rather antique but it will do its job well enough.